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Trans-Vaccenic acid

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003997

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003997 contains the MS2 mass spectrum of Trans-Vaccenic acid with the InChIkey UWHZIFQPPBDJPM-BQYQJAHWSA-N.

Source: Trans-Vaccenic acid

Chemical Info

molecular Image

InChI	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
SMILES	C(C(C(C(C(C(/C(=C(/C(C(C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])\[H])/[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key	UWHZIFQPPBDJPM-BQYQJAHWSA-N
Molecular Formula	C18H34O2
Exact Mass	282.256 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	d2c30aeb-6440-4526-9ef3-fa7083cb3302
Package id	msbnk-bs-bs003997
Resource type	HTML
State	active